(2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol

C21H30N4O4 — CID 97278253

IUPAC(2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
SMILESO[C@@H](COc1cccc(CN2CCC(c3ncon3)CC2)c1)CN1CCOCC1
InChIInChI=1S/C21H30N4O4/c26-19(14-25-8-10-27-11-9-25)15-28-20-3-1-2-17(12-20)13-24-6-4-18(5-7-24)21-22-16-29-23-21/h1-3,12,16,18-19,26H,4-11,13-15H2/t19-/m1/s1
InChIKeyHOGKCDDZEDEESY-LJQANCHMSA-N
MW402.50 g/mol
LogP1.52
Rot. Bonds8

About (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol

(2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol (PubChem CID 97278253) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
PubChem CID97278253
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name(2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
SMILESO[C@@H](COc1cccc(CN2CCC(c3ncon3)CC2)c1)CN1CCOCC1
InChIInChI=1S/C21H30N4O4/c26-19(14-25-8-10-27-11-9-25)15-28-20-3-1-2-17(12-20)13-24-6-4-18(5-7-24)21-22-16-29-23-21/h1-3,12,16,18-19,26H,4-11,13-15H2/t19-/m1/s1
InChIKeyHOGKCDDZEDEESY-LJQANCHMSA-N
XLogP1.52
TPSA84.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
(2R)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285580
(2S)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285581
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 175643135
1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72859174
(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515
methyl 1-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperidine-4-carboxylate
CID 45205503
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
(2S)-1-[3-[[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 25370474

Frequently Asked Questions

What is the IUPAC name of (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol (CID 97278253) is (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol is O[C@@H](COc1cccc(CN2CCC(c3ncon3)CC2)c1)CN1CCOCC1.
What is the InChIKey of (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol?
The InChIKey is HOGKCDDZEDEESY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N4O4/c26-19(14-25-8-10-27-11-9-25)15-28-20-3-1-2-17(12-20)13-24-6-4-18(5-7-24)21-22-16-29-23-21/h1-3,12,16,18-19,26H,4-11,13-15H2/t19-/m1/s1.
What are the key properties of (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol?
(2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol has a molecular weight of 402.50 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 97278253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).